Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CC(C)(NCc1ccc2c(CCC(=O)N2C)c1)C(O)c1ccccc1 |
InChI | InChI | 1.03 | InChI=1S/C21H26N2O2/c1-21(2,20(25)16-7-5-4-6-8-16)22-14-15-9-11-18-17(13-15)10-12-19(24)23(18)3/h4-9,11,13,20,22,25H,10,12,14H2,1-3H3/t20-/m0/s1 |
InChIKey | InChI | 1.03 | QITHCLWWRWXBDJ-FQEVSTJZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)CCc2cc(CNC(C)(C)[C@@H](O)c3ccccc3)ccc12 |
SMILES | CACTVS | 3.385 | CN1C(=O)CCc2cc(CNC(C)(C)[CH](O)c3ccccc3)ccc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)([C@H](c1ccccc1)O)NCc2ccc3c(c2)CCC(=O)N3C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C(c1ccccc1)O)NCc2ccc3c(c2)CCC(=O)N3C |